UCSF

ZINC70259007

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2011 21 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) 2.74 8.71 -34.88 2 4 1 57 286.399 3
Mid Mid (pH 6-8) 2.93 7.11 -25.32 1 4 0 64 285.391 3

Activity (Go SEA)

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