UCSF

ZINC45658959

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 1.23 5.12 -94.01 4 4 2 44 273.465 8
Hi High (pH 8-9.5) 1.23 1.97 -40.28 3 4 1 43 272.457 8
Hi High (pH 8-9.5) 1.23 4.52 -29.86 3 4 1 43 272.457 8
Mid Mid (pH 6-8) 1.23 2.82 -24.71 3 4 1 43 272.457 8
Mid Mid (pH 6-8) 1.23 1.28 -1.19 2 4 0 42 271.449 8
Lo Low (pH 4.5-6) 1.23 4.86 -106.26 4 4 2 45 273.465 8

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )