UCSF

ZINC42463067

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 1.04 2.3 -42.42 3 4 1 51 242.387 4
Hi High (pH 8-9.5) 1.04 1.95 -6.75 2 4 0 50 241.379 4
Mid Mid (pH 6-8) 1.04 4.37 -95.73 4 4 2 52 243.395 4

Activity (Go SEA)

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