UCSF

ZINC00129163

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 18 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) 3.88 -1.43 -7.03 2 3 0 51 261.394 1
Lo Low (pH 4.5-6) 3.88 -1.3 -27.86 3 3 1 53 262.402 1
Lo Low (pH 4.5-6) 3.88 -1.29 -34.53 3 3 1 53 262.402 1

Activity (Go SEA)

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