UCSF

ZINC32907367

Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2009 26 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) 2.72 6.64 -49.49 3 7 1 75 363.482 7
Hi High (pH 8-9.5) 2.72 4.17 -12.4 2 7 0 74 362.474 7
Mid Mid (pH 6-8) 2.72 6.3 -50.1 3 7 1 75 363.482 7

Activity (Go SEA)

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