UCSF

ZINC19840097

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2008 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) 2.27 3.93 -15.59 2 4 0 62 242.278 3
Hi High (pH 8-9.5) 2.27 4.96 -60.23 1 4 -1 65 241.27 3
Lo Low (pH 4.5-6) 2.27 4.31 -43.89 3 4 1 63 243.286 3

Activity (Go SEA)

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