UCSF

ZINC44685624

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 15 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) 3.06 5.99 -37.89 2 2 1 20 211.373 7
Hi High (pH 8-9.5) 3.06 4.8 -0.83 1 2 0 15 210.365 7
Mid Mid (pH 6-8) 3.06 7.21 -29.1 2 2 1 16 211.373 7
Lo Low (pH 4.5-6) 3.06 8.4 -105.19 3 2 2 21 212.381 7

Activity (Go SEA)

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