UCSF

ZINC36874213

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 18 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) 1.91 7.45 -48.61 3 3 1 45 242.346 2
Mid Mid (pH 6-8) 1.91 7.06 -97.42 4 3 2 47 243.354 2
Mid Mid (pH 6-8) 1.91 7.04 -97.19 4 3 2 47 243.354 2

Activity (Go SEA)

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