UCSF

ZINC29462053

Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2009 25 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) 2.00 2.93 -17.23 2 7 0 94 362.407 6
Mid Mid (pH 6-8) 2.00 3 -46.85 1 7 -1 96 361.399 6

Activity (Go SEA)

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