UCSF

ZINC24955108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2009 24 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) 1.29 4.89 -20.53 1 6 0 79 365.48 5
Lo Low (pH 4.5-6) 1.29 5.32 -55.2 2 6 1 81 366.488 5

Activity (Go SEA)

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