UCSF

ZINC35777201

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2009 12 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) 0.04 1.91 -43.71 0 4 -1 53 172.204 3
Mid Mid (pH 6-8) 0.04 4.1 -42.8 1 4 0 54 173.212 3

Activity (Go SEA)

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