UCSF

ZINC00631187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 24 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) 4.67 13.36 -6.53 1 4 0 43 359.26 2
Mid Mid (pH 6-8) 4.84 14.4 -118.96 3 4 2 49 361.276 2
Lo Low (pH 4.5-6) 4.67 13.88 -34.09 2 4 1 44 360.268 2

Activity (Go SEA)

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