UCSF

ZINC16310510

Substance Information

In ZINC since Heavy atoms Benign functionality
August 26th, 2008 31 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) 4.59 8.61 -20.23 2 7 0 102 438.505 7
Hi High (pH 8-9.5) 4.59 8.7 -50.12 1 7 -1 104 437.497 7

Activity (Go SEA)

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