UCSF

ZINC32909814

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 21 No

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) 2.71 8.13 -58.4 1 5 -1 60 301.395 5
Mid Mid (pH 6-8) 1.99 8.28 -19.13 2 5 0 63 302.403 5

Activity (Go SEA)

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