UCSF

ZINC21812576

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

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) 3.24 8.47 -33.21 2 2 1 20 263.449 7
Mid Mid (pH 6-8) 3.24 9.28 -33.4 2 2 1 16 263.449 7
Lo Low (pH 4.5-6) 3.24 10.47 -116.41 3 2 2 21 264.457 7

Activity (Go SEA)

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