UCSF

ZINC00501111

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 15 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) 2.23 7.04 -51.01 0 3 -1 53 204.249 2
Lo Low (pH 4.5-6) 2.23 7.47 -30.81 1 3 0 54 205.257 2

Activity (Go SEA)

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