UCSF

ZINC36875252

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 12 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) -1.29 -3.64 -45.25 4 4 1 60 175.252 3
Hi High (pH 8-9.5) -1.29 -4.1 -4.6 3 4 0 59 174.244 3
Mid Mid (pH 6-8) -1.29 -1.33 -106 5 4 2 62 176.26 3

Activity (Go SEA)

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