UCSF

ZINC32975726

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2009 29 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) 3.82 13.81 -27.97 1 6 1 62 393.511 5
Mid Mid (pH 6-8) 3.82 13.4 -10.97 0 6 0 60 392.503 5

Activity (Go SEA)

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