UCSF

ZINC04097018

Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2005 22 No

CAS Number: 23282-20-4

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) -1.89 -5.41 -14.13 4 7 0 120 312.318 1
Hi High (pH 8-9.5) -1.89 -4.69 -67.96 3 7 -1 123 311.31 1

Activity (Go SEA)

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