UCSF

ZINC70515378

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 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) 0.03 3.38 -41.79 3 6 1 71 282.412 7
Mid Mid (pH 6-8) 0.03 5.6 -107.55 4 6 2 72 283.42 7

Activity (Go SEA)

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