UCSF

ZINC00000700

Substance Information

In ZINC since Heavy atoms Benign functionality
December 13th, 2005 18 No

CAS Number: 99617-35-3

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) 1.25 -2.35 -51.16 1 4 1 30 266.39 3
Lo Low (pH 4.5-6) 1.25 -1.68 -116.03 2 4 2 31 267.398 3

Activity (Go SEA)

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