UCSF

ZINC35501514

Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2009 17 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) 3.32 7.19 -48.85 2 2 1 29 268.167 3
Mid Mid (pH 6-8) 3.32 6.17 -4.99 1 2 0 25 267.159 3

Activity (Go SEA)

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