UCSF

ZINC13831246

Substance Information

In ZINC since Heavy atoms Benign functionality
June 26th, 2008 21 Yes

CAS Number: 723331-20-2

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) -3.26 5.79 -192.88 2 9 -3 162 301.275 9
Lo Low (pH 4.5-6) -3.26 3.75 -127.74 3 9 -2 159 302.283 9

Activity (Go SEA)

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