UCSF

ZINC08614390

Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2007 19 Yes

CAS Numbers: 58-63-9 , 7013-16-3

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) -1.82 -5.22 -25.03 4 9 0 133 268.229 2
Hi High (pH 8-9.5) -1.36 -7.31 -60.72 3 9 -1 137 267.221 2

Activity (Go SEA)

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