UCSF

ZINC36752892

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 21 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) 4.07 10.34 -54.8 0 4 -1 58 348.151 2
Mid Mid (pH 6-8) 4.07 10.78 -49.67 1 4 0 59 349.159 2

Activity (Go SEA)

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