UCSF

ZINC04300832

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2005 15 Yes

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) 1.36 4.25 -47.3 1 5 -1 91 205.145 1
Hi High (pH 8-9.5) 1.36 5.23 -102.35 0 5 -2 93 204.137 1

Activity (Go SEA)

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