UCSF

ZINC09058653

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2007 26 No

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) 3.30 5.54 -44.28 0 5 -1 75 379.339 3
Lo Low (pH 4.5-6) 2.84 7.97 -9.43 1 5 0 72 380.347 3

Activity (Go SEA)

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