UCSF

ZINC35633613

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2009 20 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) 3.00 4.26 -53.16 3 5 1 79 312.44 4
Mid Mid (pH 6-8) 2.07 3.72 -71.82 2 5 0 78 311.432 5

Activity (Go SEA)

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