UCSF

ZINC32140602

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2009 21 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) 4.21 8.49 -5.12 1 2 0 21 287.378 7
Mid Mid (pH 6-8) 4.21 9.91 -45.67 2 2 1 26 288.386 7

Activity (Go SEA)

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