UCSF

ZINC34949595

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 22 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) 4.20 10.18 -43.29 3 4 1 58 341.262 2
Hi High (pH 8-9.5) 4.20 10.2 -6.19 2 4 0 56 340.254 2

Activity (Go SEA)

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