UCSF

ZINC34591456

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2009 26 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) 0.53 9.59 -51.99 2 9 1 102 362.41 6
Mid Mid (pH 6-8) 0.53 7.24 -14.85 1 9 0 101 361.402 6

Activity (Go SEA)

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