UCSF

ZINC20233092

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 24 No

CAS Number: 523-98-8

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) -2.39 -6.89 -203.88 3 13 -3 209 361.183 4
Mid Mid (pH 6-8) -2.39 -8.04 -102.01 4 13 -2 206 362.191 4
Lo Low (pH 4.5-6) -2.84 -6.49 -57.97 5 13 -1 203 363.199 4

Activity (Go SEA)

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