UCSF

ZINC34974583

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 16 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) 1.22 0.18 -35.72 0 5 -1 75 241.585 1
Lo Low (pH 4.5-6) 0.76 2.84 -7.36 1 5 0 72 242.593 1

Activity (Go SEA)

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