UCSF

ZINC36278911

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2009 20 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) 1.20 4.78 -46.28 3 5 1 58 292.432 4
Lo Low (pH 4.5-6) 1.20 7.03 -127.34 4 5 2 59 293.44 4
Lo Low (pH 4.5-6) 1.20 5.7 -44.11 3 5 1 54 292.432 4

Activity (Go SEA)

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