UCSF

ZINC32089139

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2009 19 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) 3.28 6.88 -126.17 4 3 2 41 331.298 8
Mid Mid (pH 6-8) 3.28 4.86 -43.73 3 3 1 40 330.29 8

Activity (Go SEA)

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