UCSF

ZINC32611588

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 0.29 6.94 -50.77 1 6 1 59 307.399 3
Mid Mid (pH 6-8) 0.29 4.68 -18.51 0 6 0 58 306.391 3
Lo Low (pH 4.5-6) 0.29 7.23 -99.67 2 6 2 60 308.407 3

Activity (Go SEA)

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