UCSF

ZINC19942980

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 19 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) 2.54 2.62 -36.53 4 4 1 57 267.393 8
Hi High (pH 8-9.5) 2.55 2.18 -47 3 4 0 63 266.385 8
Mid Mid (pH 6-8) 2.55 1.39 -43.28 4 4 1 60 267.393 8

Activity (Go SEA)

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