UCSF

ZINC53541253

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2010 15 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) 2.18 7.2 -48.5 2 3 1 34 210.345 7
Mid Mid (pH 6-8) 2.18 7.53 -95.47 3 3 2 36 211.353 7

Activity (Go SEA)

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