UCSF

ZINC08582172

Substance Information

In ZINC since Heavy atoms Benign functionality
June 6th, 2007 18 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) 3.14 -1.19 -39.68 2 2 1 29 241.358 3
Lo Low (pH 4.5-6) 3.14 -1.07 -96.64 3 2 2 30 242.366 3

Activity (Go SEA)

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