UCSF

ZINC70304401

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 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) 1.86 5.92 -125.21 4 5 2 63 280.397 6
Hi High (pH 8-9.5) 1.86 4.47 -47.32 3 5 1 58 279.389 6
Hi High (pH 8-9.5) 1.86 2.22 -14.91 2 5 0 57 278.381 6
Mid Mid (pH 6-8) 1.86 3.67 -51.72 3 5 1 62 279.389 6

Activity (Go SEA)

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