UCSF

ZINC32932415

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 31 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) 2.31 8.11 -45.93 2 7 1 66 423.537 7
Mid Mid (pH 6-8) 2.31 8.12 -50.04 2 7 1 66 423.537 7
Mid Mid (pH 6-8) 2.31 5.8 -14.03 1 7 0 65 422.529 7

Activity (Go SEA)

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