UCSF

ZINC44243549

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 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) 3.57 4.68 -43.5 0 5 -1 74 383.272 3
Mid Mid (pH 6-8) 3.57 4.83 -10.34 1 5 0 72 384.28 3

Activity (Go SEA)

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