UCSF

ZINC34989551

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 14 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) 2.32 7.68 -38.53 1 2 1 22 192.282 3
Mid Mid (pH 6-8) 2.32 5.29 -7.1 0 2 0 20 191.274 3

Activity (Go SEA)

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