UCSF

ZINC37025270

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 13 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) 0.93 3.24 -38.03 2 4 1 52 188.247 5
Mid Mid (pH 6-8) 0.93 1.88 -4.86 1 4 0 48 187.239 5

Activity (Go SEA)

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