UCSF

ZINC34960332

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 15 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) -1.01 1.6 -108.22 5 5 2 64 216.329 7
Hi High (pH 8-9.5) -1.01 1.21 -39.6 4 5 1 63 215.321 7
Mid Mid (pH 6-8) -1.01 -0.55 -48.52 4 5 1 63 215.321 7

Activity (Go SEA)

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